>compound N-Acetyl-DL-aspartic acid_N-Acetyl-DL-aspartic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C6H9NO5
#smiles CC(=O)NC(CC(O)=O)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100395.txt;LC-ESI-QTOF_train_data/PR100851.txt
>charge 1
>ionization [M+H]+
>parentmass 176.05587

>collision 5-60
70.0284 12.76
71.0099 1.524
74.0233 99.72
75.0258 1.574
88.0383 139.4
89.0506 1.49
90.5054 1.977
98.0214 3.314
99.0084 8.527
99.511 2.743
116.0337 50.87
130.0476 22.17
134.0437 138.4
135.0557 1.578
158.0445 22.47
176.0559 6.663

>collision 5-60
58.031 10.74
88.0404 157.4
114.0202 27.12
115.0037 19.86
130.0506 37.17
156.0298 12.09
174.0403 81.14

